Convert atomInfo to int64_t

[alexxy/gromacs.git] / src / gromacs / nbnxm / atomdata.cpp

diff --git a/src/gromacs/nbnxm/atomdata.cpp b/src/gromacs/nbnxm/atomdata.cpp
index 4ccf58e213eae824d12ac09f223b7e6d40deb48b..8fd0569df244ec7fb2808b9bcc5f052f5415caf0 100644 (file)
--- a/src/gromacs/nbnxm/atomdata.cpp
+++ b/src/gromacs/nbnxm/atomdata.cpp
@@ -861,13 +861,13 @@ static void nbnxn_atomdata_mask_fep(nbnxn_atomdata_t* nbat, const Nbnxm::GridSet
 }
 
 /* Copies the energy group indices to a reordered and packed array */
-static void copy_egp_to_nbat_egps(const int*          a,
-                                  int                 na,
-                                  int                 na_round,
-                                  int                 na_c,
-                                  int                 bit_shift,
-                                  ArrayRef<const int> atomInfo,
-                                  int*                atomInfoNb)
+static void copy_egp_to_nbat_egps(const int*              a,
+                                  int                     na,
+                                  int                     na_round,
+                                  int                     na_c,
+                                  int                     bit_shift,
+                                  ArrayRef<const int64_t> atomInfo,
+                                  int*                    atomInfoNb)
 {
     int i = 0, j = 0;
     for (; i < na; i += na_c)
@@ -894,7 +894,7 @@ static void copy_egp_to_nbat_egps(const int*          a,
 /* Set the energy group indices for atoms in nbnxn_atomdata_t */
 static void nbnxn_atomdata_set_energygroups(nbnxn_atomdata_t::Params* params,
                                             const Nbnxm::GridSet&     gridSet,
-                                            ArrayRef<const int>       atomInfo)
+                                            ArrayRef<const int64_t>   atomInfo)
 {
     if (params->nenergrp == 1)
     {
@@ -923,11 +923,11 @@ static void nbnxn_atomdata_set_energygroups(nbnxn_atomdata_t::Params* params,
 }
 
 /* Sets all required atom parameter data in nbnxn_atomdata_t */
-void nbnxn_atomdata_set(nbnxn_atomdata_t*     nbat,
-                        const Nbnxm::GridSet& gridSet,
-                        ArrayRef<const int>   atomTypes,
-                        ArrayRef<const real>  atomCharges,
-                        ArrayRef<const int>   atomInfo)
+void nbnxn_atomdata_set(nbnxn_atomdata_t*       nbat,
+                        const Nbnxm::GridSet&   gridSet,
+                        ArrayRef<const int>     atomTypes,
+                        ArrayRef<const real>    atomCharges,
+                        ArrayRef<const int64_t> atomInfo)
 {
     nbnxn_atomdata_t::Params& params = nbat->paramsDeprecated();